skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Bi16O25 by Materials Project

Abstract

Bi16O25 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Bi+3.12+ sites. In the first Bi+3.12+ site, Bi+3.12+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.73 Å. In the second Bi+3.12+ site, Bi+3.12+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.64 Å. In the third Bi+3.12+ site, Bi+3.12+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.71 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the second O2- site, O2- is bonded to four Bi+3.12+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry tomore » four Bi+3.12+ atoms. In the sixth O2- site, O2- is bonded to four equivalent Bi+3.12+ atoms to form edge-sharing OBi4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-757852
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Bi16O25; Bi-O
OSTI Identifier:
1290909
DOI:
10.17188/1290909

Citation Formats

The Materials Project. Materials Data on Bi16O25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290909.
The Materials Project. Materials Data on Bi16O25 by Materials Project. United States. doi:10.17188/1290909.
The Materials Project. 2020. "Materials Data on Bi16O25 by Materials Project". United States. doi:10.17188/1290909. https://www.osti.gov/servlets/purl/1290909. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290909,
title = {Materials Data on Bi16O25 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi16O25 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Bi+3.12+ sites. In the first Bi+3.12+ site, Bi+3.12+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.73 Å. In the second Bi+3.12+ site, Bi+3.12+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.64 Å. In the third Bi+3.12+ site, Bi+3.12+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.71 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the second O2- site, O2- is bonded to four Bi+3.12+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.12+ atoms. In the sixth O2- site, O2- is bonded to four equivalent Bi+3.12+ atoms to form edge-sharing OBi4 tetrahedra.},
doi = {10.17188/1290909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: